Basic information
- CAS
17901-23-4- Standard SMILES
O=C(OCCSCCOC(=O)C1CC=CCC1)C1CC=CCC1- InChIKey
YPMDZJACSWRUEV-UHFFFAOYSA-N- Molecular formula
- C18H26O4S
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.15518048
Names & identifiers
- Preferred name
- 2-[2-(Cyclohex-3-ene-1-carbonyloxy)ethylsulfanyl]ethyl cyclohex-3-ene-1-carboxylate
- IUPAC
- 2-[2-(cyclohex-3-ene-1-carbonyloxy)ethylsulfanyl]ethyl cyclohex-3-ene-1-carboxylate
Names & synonyms
MLS00260798917901-23-4NSC36611CHEMBL1716863DTXSID20284300HMS3092B11NSC-36611SMR001526747Sulfanediyldi(ethane-2,1-diyl) dicyclohex-3-ene-1-carboxylate
Database identifiers
- CAS
17901-23-4- PubChem CID
- 235355
- DTXSID
DTXSID20284300- ChEMBL
CHEMBL1716863
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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